- InChI
- InChI=1S/C12H16ClNO/c1-4-14(12(15)10(3)13)11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3
- InChI Key
- UQTVJWBAWLRDEE-UHFFFAOYSA-N
- Formula
- C12H16ClNO
- SMILES
- CCN(C(=O)C(C)Cl)c1cccc(C)c1
- Molecular Weight1
- 225.72
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 120.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.975 | Crippen Calculated Property | |
| McVol | 179.970 | ml/mol | McGowan Calculated Property |
| Pc | 2445.89 | kPa | Joback Calculated Property |
| Inp | 1589.00 | NIST | |
| Tboil | 608.92 | K | Joback Calculated Property |
| Tc | 823.46 | K | Joback Calculated Property |
| Tfus | 361.26 | K | Joback Calculated Property |
| Vc | 0.666 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.29; 510.14] | J/mol×K | [608.92; 823.46] | 
|
| Cp,gas | 433.29 | J/mol×K | 608.92 | Joback Calculated Property |
| Cp,gas | 448.40 | J/mol×K | 644.68 | Joback Calculated Property |
| Cp,gas | 462.53 | J/mol×K | 680.43 | Joback Calculated Property |
| Cp,gas | 475.72 | J/mol×K | 716.19 | Joback Calculated Property |
| Cp,gas | 488.02 | J/mol×K | 751.95 | Joback Calculated Property |
| Cp,gas | 499.48 | J/mol×K | 787.70 | Joback Calculated Property |
| Cp,gas | 510.14 | J/mol×K | 823.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-ethyl-N-(3-methylphenyl)-2-chloro-.
Sources
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